⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL564159 | 0.97 | — | — | |
| SCHEMBL10988952 | 0.81 | — | — | |
| SCHEMBL10999545 | 0.79 | — | — | |
| SCHEMBL4969215 | 0.78 | PHF8 (0.38) | — | |
| SCHEMBL18173794 | 0.77 | HSP90AA1 (0.64) | — | |
| SCHEMBL18151866 | 0.77 | HSP90AA1 (0.64) | — | |
| SCHEMBL10993471 | 0.77 | HSP90AA1 (0.64) | — | |
| SCHEMBL19227172 | 0.77 | HSP90AA1 (0.64) | — | |
| SCHEMBL11000599 | 0.77 | HSP90AA1 (0.64) | — | |
| SCHEMBL10991674 | 0.77 | HSP90AA1 (0.64) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113062113-A | Method for carrying out surface treatment on wool fabric by using thiourea dioxide | 江南大学 | 2021-07-02 | — | — | CN | disclosed |